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Advanced materials modelling
Modelling properties and performance of advanced materials and nanotechnologies
IRL has established capability in computational materials design and materials characterisation, working with several MacDiarmid Institute start-ups, as well as Fonterra and Quest Reliability. We have an extensive network of researchers working in this area, and a portfolio of multiscale modelling tools, including new mathematical techniques and software for computational materials science, and expertise in synchrotron-based experiments.
We are able to develop sophisticated computer simulations that allow characterisations of new materials. We undertake this work for many organisations throughout the world and in New Zealand.
Our key research interests include:
- understanding metallic nanoclusters and metal-oxide nanorods
- interconnects of nanowires in integrated circuits
- surface oxides and metallic nanostructures
- surface treatments for aluminium alloys
- novel electrocatalysts based on metal carbide nanocomposites for fuel cells
- anti-fouling and anti-corrosion.
The technology will produce significant reductions in the time, risk and cost of developing new nanotechnology products, together with increased product reliability. Our research tools include synchrotron radiation, high resolution transmission electron microscopy, infrared spectroscopy and networked computers. We are interested in establishing further research collaborations and developing links with companies to progress these technologies.
Key research programmes:
Nanoscale metal particles
As part of our multiscale modelling research programme, molecular dynamics software has been developed to model the structure and thermodynamic properties of nanoscale metal particles. We are particularly interested in solid-liquid phase coexistence in metallic nanoparticles, which can occur prior to melting in isolated nanoparticles. Read more >>
Synchrotron science
IRL has been developing expertise in synchrotron techniques since 2005 with specific interest in crystallography, x-ray absorption spectroscopy, small-angle x-ray scattering, diffraction, and soft x-ray techniques. Read more >>